Summary

IMPPAT Phytochemical identifier: IMPHY007493

Phytochemical name: (1R)-1,7-dihydroxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-one

Synonymous chemical names:
lacinilene c, lacinilene-c

External chemical identifiers:
CID:170551, ChEMBL:CHEMBL254803, ZINC:ZINC000006070419, MolPort-035-706-171

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Chemical structure information

SMILES:
CC(C1=CC(=O)[C@](c2c1cc(C)c(c2)O)(C)O)C

InChI:
InChI=1S/C15H18O3/c1-8(2)10-6-14(17)15(4,18)12-7-13(16)9(3)5-11(10)12/h5-8,16,18H,1-4H3/t15-/m1/s1

InChIKey:
JLCJSBOHWRDWQW-OAHLLOKOSA-N

DeepSMILES:
CCC=CC=O)[C@]cc6ccC)cc6)O))))))C)O)))))C

Functional groups:
CO, cC(C)=CC(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2ccccc2C1

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP-Likeness score: 2.184

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Chemical structure download